1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea

C17H19N3O3 — CID 95762546

IUPAC1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
SMILESO=C(NCc1ccco1)N[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O3/c21-11-13(20-17(22)19-10-14-4-3-7-23-14)8-12-9-18-16-6-2-1-5-15(12)16/h1-7,9,13,18,21H,8,10-11H2,(H2,19,20,22)/t13-/m0/s1
InChIKeyOMWPDWRLOFGKIU-ZDUSSCGKSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea

1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea (PubChem CID 95762546) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
PubChem CID95762546
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
SMILESO=C(NCc1ccco1)N[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H19N3O3/c21-11-13(20-17(22)19-10-14-4-3-7-23-14)8-12-9-18-16-6-2-1-5-15(12)16/h1-7,9,13,18,21H,8,10-11H2,(H2,19,20,22)/t13-/m0/s1
InChIKeyOMWPDWRLOFGKIU-ZDUSSCGKSA-N
XLogP2.16
TPSA90.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
(2S)-2-(benzylcarbamoylamino)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylpentanamide
CID 70001543
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4966001
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
N-(furan-2-ylmethyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109155396
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95347809
2-[2-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135337288
3-(1H-indol-3-yl)-2-(naphthalen-1-ylmethylcarbamoylamino)propanoic acid
CID 45331741
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea (CID 95762546) is 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea is O=C(NCc1ccco1)N[C@H](CO)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The InChIKey is OMWPDWRLOFGKIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-11-13(20-17(22)19-10-14-4-3-7-23-14)8-12-9-18-16-6-2-1-5-15(12)16/h1-7,9,13,18,21H,8,10-11H2,(H2,19,20,22)/t13-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea has a molecular weight of 313.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 95762546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).